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CAS 27126-42-7 Pentanoic acid,4-bromo-, ethyl ester molecular structure lightbox
CAS RN: 27126-42-7

Pentanoic acid,4-bromo-, ethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250114 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-125926
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 27126-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

27126-42-7 / ethyl 4-bromopentanoate

Standard CAS: 27126-42-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27126-42-7
Multi CAS
No
Molecular Formula
C7H13BrO2
Molecular Weight
209.080000
Exact Mass
208.009890
SMILES
CCOC(=O)CCC(C)Br
InChI
InChI=1S/C7H13BrO2/c1-3-10-7(9)5-4-6(2)8/h6H,3-5H2,1-2H3
InChIKey
CTVCPHLFHPQRNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
44.26
TPSA
26.3

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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